2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol

C16H27NO — CID 115252120

IUPAC2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
SMILESCc1ccc(C)c(CN(C)CC(CO)C(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)16(11-18)10-17(5)9-15-8-13(3)6-7-14(15)4/h6-8,12,16,18H,9-11H2,1-5H3
InChIKeyLCVUQBXMQKNXTO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.00
Rot. Bonds6

About 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol

2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol (PubChem CID 115252120) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
PubChem CID115252120
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
SMILESCc1ccc(C)c(CN(C)CC(CO)C(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)16(11-18)10-17(5)9-15-8-13(3)6-7-14(15)4/h6-8,12,16,18H,9-11H2,1-5H3
InChIKeyLCVUQBXMQKNXTO-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252142
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202638
N'-[(5-bromo-2-methylphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252546
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]butanenitrile
CID 115253887
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol (CID 115252120) is 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol is Cc1ccc(C)c(CN(C)CC(CO)C(C)C)c1.
What is the InChIKey of 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol?
The InChIKey is LCVUQBXMQKNXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)16(11-18)10-17(5)9-15-8-13(3)6-7-14(15)4/h6-8,12,16,18H,9-11H2,1-5H3.
What are the key properties of 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol?
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).